SCHEMBL20090928

SCHEMBL20090928

CCCC(C)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22168972 0.88 NR3C1 (0.31) ALDH1A1HPGD
SCHEMBL20430094 0.86 GAA (0.33) ALDH1A1HPGD
SCHEMBL20993152 0.86 TRPM8 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23653894 0.86 LMNA (0.30) LMNA
SCHEMBL23501939 0.84 GPR84 (0.39) LMNA
SCHEMBL23717389 0.83 UBE2M (0.35)
SCHEMBL19304426 0.82 PGR (0.33)
SCHEMBL10244133 0.81 USP2 (0.44) ALDH1A1HPGDCES2CES1
SCHEMBL10244197 0.81 USP2 (0.44) ALDH1A1HPGDCES2CES1
SCHEMBL15445117 0.81 USP2 (0.44) ALDH1A1HPGDCES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164233-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
US-11028068-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-06-08 US disclosed
US-20210032233-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer MIDWESTERN UNIVERSITY 2021-02-04 US disclosed
US-20200207737-A1 SOMATASTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-07-02 US disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 US disclosed
US-10266560-B2 Bile acid analogs as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-04-23 US disclosed
US-20180110226-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ALDH1A1 1455/4885HPGD 1212/4885CES2 385/4885
US-20180110226-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SQOR, DDT, QSOX1 ALDH1A1 1226/4885HPGD 932/4885CES2 1948/4885
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 ALDH1A1 665/4885HPGD 1246/4885CES2 1277/4885
US-10266560-B2 Bile acid analogs as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 ALDH1A1 2623/4885HPGD 2901/4885CES2 1817/4885
US-20200207737-A1 SOMATASTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 ALDH1A1 4662/4885HPGD 3255/4885CES2 1970/4885
US-20210032233-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer ASPH, CYP46A1, ALDH7A1 ALDH1A1 46/4885HPGD 149/4885CES2 500/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R ALDH1A1 2971/4885HPGD 1990/4885CES2 3042/4885
US-11028068-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 ALDH1A1 4626/4885HPGD 1517/4885CES2 2578/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.